SCHEMBL29920437

SCHEMBL29920437

COc1cc(C=O)cc2c1CNC2=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TRIM24 O15164 1/20 0.39
▸ ALDH5A1 P51649 1/20 0.39
▸ ABAT P80404 1/20 0.39
▸ TRIM33 Q9UPN9 1/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ FDPS P14324 1/20 0.37
▸ ALDH1A3 P47895 1/20 0.37
▸ AOX1 Q06278 1/20 0.36
▸ PDE4B Q07343 3/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27085830 1.00 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2AGAA
SCHEMBL27085824 0.86 MEN1 (0.40) ALDH1A1MEN1KMT2AGAATDP1
SCHEMBL32686205 0.81 DRD1 (0.38) PIM1PIK3CDPIK3CAPIK3CB
SCHEMBL32686271 0.81 GRM2 (0.33) PIM1PIM2
SCHEMBL30775216 0.79 ALDH1A1 (0.47) ALDH1A1TDP1HPGDNQO2KDM4E
SCHEMBL27085892 0.78 PIM1 (0.41) ALDH1A1MEN1KMT2AGAANQO2
SCHEMBL27086356 0.77 GRM2 (0.42) ALDH1A1PIM1KDRGSK3BPIK3CD
SCHEMBL30004086 0.77 GRM2 (0.42) ALDH1A1PIM1KDRGSK3BPIK3CD
SCHEMBL25415363 0.76 CDK5 (0.50) KMT2APIM1PIK3CDPIK3CAPIK3CB
SCHEMBL32686478 0.76 ALDH1A1 (0.37) ALDH1A1ALDH1A3PIM1IGF1RKDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117858707-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
EP-4323350-A1 ISOINDOLINONE COMPOUNDS Monte Rosa Therapeutics AG (CH) 2024-02-21 — — EP disclosed
EP-4319756-A1 CBL-B MODULATORS AND USES THEREOF Nimbus Clio, Inc. (US) 2024-02-14 — — EP disclosed
WO-2022219407-A1 ISOINDOLINONE COMPOUNDS MONTE ROSA THERAPEUTICS AG (CH) 2022-10-20 — — WO disclosed
WO-2022217276-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-10-13 — — WO disclosed
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